More flexible command configuration - #245
Merged
Merged
Conversation
Collaborator
Author
|
Partly addresses #196 -- in the sense that it gives the user tools to overcome the errors -- but does not do so in an automated way. |
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #245 +/- ##
==========================================
+ Coverage 80.68% 80.69% +0.01%
==========================================
Files 97 97
Lines 8091 8199 +108
==========================================
+ Hits 6528 6616 +88
- Misses 1563 1583 +20 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
|
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
This PR overhauls the
koopmans.commandsmodule in order to make the commands more customizable.Now, the user can specify code options in the input file as follows:
Internally, this PR also standardizes the use of
ASE_<CODE_NAME>_COMMANDenvironment variables (which previously were defined in different places for one calculator to the next.)